[gmx-users] hydrophobic interactions

Andrew Bostick andrew.bostick1 at gmail.com
Fri Dec 28 11:49:51 CET 2018

Hi all,

I did md simulation of protein-ligand complex using gromacs 5.1.3.

1) How to investigate hydrophobic interactions between protein and ligand
during trajectory? Which tool is appropriate for this aim?

2) How to get an average structure from whole of trajectory?


More information about the gromacs.org_gmx-users mailing list